2-Amino-[1,2,4]triazolo[1,5-a]pyridin-6-ol hydrobromide

Introduction

CAS No. :	1092394-16-5	MDL No. :	MFCD17014843
Formula :	C6H7BrN4O	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	HSFWPMATVTVYPC-UHFFFAOYSA-N
M.W :	231.05	Pubchem ID :	46864067
Synonyms :

Physicochemical Properties

Num. heavy atoms :	12
Num. arom. heavy atoms :	9
Fraction Csp3 :	0.0
Num. rotatable bonds :	0
Num. H-bond acceptors :	3.0
Num. H-bond donors :	2.0
Molar Refractivity :	49.45
TPSA :	76.44 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	No
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-6.99 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.0
Log Po/w (XLOGP3) :	1.01
Log Po/w (WLOGP) :	0.98
Log Po/w (MLOGP) :	0.75
Log Po/w (SILICOS-IT) :	-0.71
Consensus Log Po/w :	0.41

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	0.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-2.46
Solubility :	0.794 mg/ml ; 0.00344 mol/l
Class :	Soluble
Log S (Ali) :	-2.2
Solubility :	1.44 mg/ml ; 0.00624 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-0.76
Solubility :	40.1 mg/ml ; 0.173 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.1

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P305+P351+P338	UN#:	N/A
Hazard Statements:	H302-H315-H319	Packing Group:	N/A
GHS Pictogram:

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